N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide

C17H28N4O3 — CID 67572338

IUPACN-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide
SMILESCCCCCCCCNN(C(=O)c1ccc(O)cc1)C(=O)C(N)N
InChIInChI=1S/C17H28N4O3/c1-2-3-4-5-6-7-12-20-21(17(24)15(18)19)16(23)13-8-10-14(22)11-9-13/h8-11,15,20,22H,2-7,12,18-19H2,1H3
InChIKeyAVEXRMMUJPIRRX-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.47
Rot. Bonds10

About N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide

N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide (PubChem CID 67572338) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide.

Molecular Properties

Compound NameN-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide
PubChem CID67572338
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide
SMILESCCCCCCCCNN(C(=O)c1ccc(O)cc1)C(=O)C(N)N
InChIInChI=1S/C17H28N4O3/c1-2-3-4-5-6-7-12-20-21(17(24)15(18)19)16(23)13-8-10-14(22)11-9-13/h8-11,15,20,22H,2-7,12,18-19H2,1H3
InChIKeyAVEXRMMUJPIRRX-UHFFFAOYSA-N
XLogP1.47
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(4-hydroxybenzoyl)-1-(octadecylamino)urea
CID 54113851
N-(2,2-diaminoacetyl)-4-hydroxy-N-octylbenzamide
CID 67571411
N-decyl-4-hydroxybenzamide
CID 15277871
N'-butyl-N-heptanoylbenzohydrazide
CID 174288405
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
hexadecane;4-hydroxybenzoic acid
CID 66671223
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide
CID 67643355
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide?
The IUPAC name of N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide (CID 67572338) is N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide.
What is the SMILES notation for N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide?
The canonical SMILES for N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide is CCCCCCCCNN(C(=O)c1ccc(O)cc1)C(=O)C(N)N.
What is the InChIKey of N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide?
The InChIKey is AVEXRMMUJPIRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-2-3-4-5-6-7-12-20-21(17(24)15(18)19)16(23)13-8-10-14(22)11-9-13/h8-11,15,20,22H,2-7,12,18-19H2,1H3.
What are the key properties of N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide?
N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide has a molecular weight of 336.44 g/mol, XLogP of 1.47, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diaminoacetyl)-4-hydroxy-N'-octylbenzohydrazide is sourced from PubChem (CID 67572338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).